Computer study of the Raman spectra and infrared optical properties of gallium nitride and gallium arsenic nanoparticles with SiO₂ core and shell

J Nanopart Res (2014) Vol.16, P.2351(1-18)

Alexander Y. Galashev

Abstract The J(ω) Raman spectra of the (GaN)₁₂₉, (SiO₂)₈₆, and (GaN)₅₄(SiO₂)₅₀ nanoparticles as well as the optical properties of silicon dioxide and gallium arsenide nanoparticles and the four-component particles based on them were calculated using the molecular dynamics method. The spectrum of (SiO₂)₈₆ had three broad bands only, whereas the Raman spectrum of (GaN)₁₂₉ contained a large number of overlapping bands. The shape of Raman spectra for four-component particles depends strongly on the way the GaN-, GaAs-, and SiO₂-components are located in the nanoparticle. Increasing the temperature (from 300 K upto 1500 K) of nanoparticles causes a significant rise in the intensity of the Raman spectrum. Thus, the odd J(ω)-spectrum peaks for the nanoparticle with the SiO₂-core shift in opposite directions, but this heating does not lead to the shift of J(ω)-spectrum peaks for the (GaAs)₅₄(SiO₂)₅₀ nanoparticle with SiO₂-coating. The refractive index and absorption coefficient as well as the number of optically active electrons depend weakly on the arrangement of the conductor (GaAs) and isolator (SiO₂) in the nanoparticle.

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